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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| 00-kgrid | 2015-03-12 | ||
| 01-quench | 2015-03-12 | ||
| 05-wfn_fi | 2015-03-12 | ||
| 03-wfnq | 2015-03-12 | ||
| 06-wfnq_fi | 2015-03-12 | ||
| 02-wfn | 2015-03-12 | ||
| 04-wfn_co | 2015-03-12 | ||
| script_0 | 2015-03-12 | 281 Bytes | |
| script_1 | 2015-03-12 | 855 Bytes | |
| script_2 | 2015-03-12 | 321 Bytes | |
| Totals: 10 Items | 1.5 kB | 0 | |
# BULK SILICON - 8 Si atoms Cubic Cell # # Enter RMG directory. # # RMG: generate k-points (directory 00) # RMG: you must manually add the k-points to RMG input files RMG: sh ./script_0 # # create symbolic links # sh ./script_1 # # generate charge density (directory 01) # run nscf calculations (directories 02 to 06) # RMG: Submit script_2. Suggested ncpu = 24, walltime = 0:30:00 # # cd .. # # generate dielectric matrix (directory 07) # calculate self-energy corrections (directory 08) # generate electron-hole interaction kernel (directory 09) # solve BSE and calculate optical absorption (directory 10) # Submit script_3. Suggested ncpu = 48, walltime = 0:30:00 #